Catalytic removal of the S-content from thiophene is a central step in efforts aiming to reduce the environmental burdens of transportation fuels. In this contribution, we investigate the hydrodesulfurization (HDS) mechanisms of thiophene (C4H4S) over γ-Mo2N catalyst by means of density functional theory (DFT) calculations. The thiophene molecule preferentially adsorbs in a flat mode over 3-fold fcc nitrogen hollow sites. The HDS mechanism may potentially proceed either unimolecularly (direct desulfurization) or via H-assisted reactions (hydrogenation). Due to a sizable activation barrier required for the first Csingle bondS bond scission of 54.6 kcal/mol, we predict that the direct desulfurization to contribute rather very insignificantly in the HDS mechanism. Transfer of adsorbed hydrogen atoms on the γ-Mo2N surface to the thiophene ring substantially reduces activation barrier required in the Csingle bondS bond scission to only 24.1 kcal/mol in a process that affords an adsorbed C4H6* species and an S atom. Further hydrogenation of the unsaturated C4H6* produces 2-butene. Kinetics and thermodynamics attributes dictate the occurrence of partial rather than full hydrogenation of C4H6*. Calculated rate constants for all individual steps could be utilized to construct a robust kinetic model for the overall HDS process. Estimated conversion values of thiophene predict 50–70% consumption of thiophene at 700 K and low values of gas hourly space velocities. Reaction routes and kinetic parameters provided herein are useful to design stand-alone γ-Mo2N-based catalysts for applications entailing partial hydrogenation and hydrodesulfurization of severely contaminated S-fuels.
A field study was conducted on a sample of the public in Baghdad to study the audience's exposure to the television promotion of pharmaceutical products and their trends in order to determine the rate of exposure of the public to the television promotion of pharmaceutical products according to the theory of uses and rumors and to determine the public's attitudes towards television promotion of pharmaceutical products. A survey of (25) a questions was distributed to a sample of the audience of 150 people. The statistical program SPSS was used to unload the data and for the calculation of frequencies and percentages and correlation coefficients. The research reached several results, Most importantly, the television promotion is well receiv
... Show MoreThis paper deals with the preparation and investigation studies of a number of new complexes of Cu(II) , Zn(II) , Hg(II) , Ag(I) , Pt(IV) and Pb(II).The complexes were formed by the reaction of the mentioned metal ions with the ligand which is derived from oxadiazole (OXB), 2- (2-butyl) thio-5- phenyl – 1,3,4 – oxadiazole in the mole ratio (1:1) , (1:2) and (1:3) (metal to ligand ).The result complexes having general formulae :M(OXB)Cl2] [M(OXB)X2]H2O [ M= Cu(II) , Zn(II) M= Hg(II) , Pb(II) [M(OXB)2 X2] X= Cl– M = Cu (II), Zn (II), Hg (II), Pb (II) X= Cl–, NO3-, CH3COO- [Pt(OXB)3]Cl4 [Ag(OXB)]NO32-(2-??????? ) ???? -5- ???
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The research explores through its three parts, to search for the unconscious and the collective unconscious in order to identify the per-formative stimuli and motives and their motivation to produce a performance that is consistent with the metaphysics of the myth or the epic and its different characters from other human characters. The paper also explores in its second section a sort of sacred performance energy. Together, along with motivating the mind and engaging the subconscious, comes a metaphysical text and with its characters and epic events.
Islamic jurisprudence is a divine approach capable of confronting all developments that occur in human society and giving appropriate solutions to them. The research discussed opinions related to some contemporary issues according to the rule of no excess or negligence and according to the rules of removing hardship and facilitating in order to reach the appropriate legal ruling for the nature of the situation to which it may be exposed. Man is in paradise, and the research emphasizes the necessity of taking into account the aspect of precaution when deciding on issues, such as the rules of change and the removal of embarrassment
For a connected topological space M we define the homeomorphism and period noncoincidence indices of M, each of them is topological invariant reflecting the abundance of fixed point free self homeomorphisms and periodic point free self maps defined on M respectively. We give some results for computing each of these indices and we give some examples and some results relating these indices with Hoffman index.
In this paper we study the notion of preradical on some subcategories of the category of semimodules and homomorphisms of semimodules.
Since some of the known preradicals on modules fail to satisfy the conditions of preradicals, if the category of modules was extended to semimodules, it is necessary to investigate some subcategories of semimodules, like the category of subtractive semimodules with homomorphisms and the category of subtractive semimodules with ҽҟ-regular homomorphisms.
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The science of interpretation is considered one of the most important sciences due to its primacy and high status. Because knowledge is honored with the honor of its owner and related to it, and the science of interpretation is related to the Book of God, and from this importance emerges the importance of writing on a subject (from the terms of social organization in the Holy Qur’an); Because it deals with a matter that is considered a necessity in a place, and I called the research (from the terms of social organization in the Holy Qur’an - an analytical study), and the reason for choosing this topic was to clarify those terms and link them to our contemporary reality in order for them to be beacons of guidance and guidance for thos
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